9H-fluoren-9-ylmethyl 4-[chloro(diphenyl)methyl]benzoate

C34H25ClO2 — CID 123230647

IUPAC9H-fluoren-9-ylmethyl 4-[chloro(diphenyl)methyl]benzoate
SMILESO=C(OCC1c2ccccc2-c2ccccc21)c1ccc(C(Cl)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C34H25ClO2/c35-34(25-11-3-1-4-12-25,26-13-5-2-6-14-26)27-21-19-24(20-22-27)33(36)37-23-32-30-17-9-7-15-28(30)29-16-8-10-18-31(29)32/h1-22,32H,23H2
InChIKeyUAMKIIFPQOSVCI-UHFFFAOYSA-N
MW501.03 g/mol
LogP8.19
Rot. Bonds6

About 9H-fluoren-9-ylmethyl 4-[chloro(diphenyl)methyl]benzoate

9H-fluoren-9-ylmethyl 4-[chloro(diphenyl)methyl]benzoate (PubChem CID 123230647) has the molecular formula C34H25ClO2 and a molecular weight of 501.03 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl 4-[chloro(diphenyl)methyl]benzoate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl 4-[chloro(diphenyl)methyl]benzoate
PubChem CID123230647
Molecular FormulaC34H25ClO2
Molecular Weight501.03 g/mol
Exact Mass500.15
IUPAC Name9H-fluoren-9-ylmethyl 4-[chloro(diphenyl)methyl]benzoate
SMILESO=C(OCC1c2ccccc2-c2ccccc21)c1ccc(C(Cl)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C34H25ClO2/c35-34(25-11-3-1-4-12-25,26-13-5-2-6-14-26)27-21-19-24(20-22-27)33(36)37-23-32-30-17-9-7-15-28(30)29-16-8-10-18-31(29)32/h1-22,32H,23H2
InChIKeyUAMKIIFPQOSVCI-UHFFFAOYSA-N
XLogP8.19
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.03
LogP ≤ 58.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

9H-fluoren-9-ylmethyl N-benzoylcarbamate
CID 10020316
9H-fluoren-9-ylmethyl carbonochloridate;hydrochloride
CID 87161132
3-amino-4-(9H-fluoren-9-ylmethoxy)-4-oxo-3-phenylbutanoic acid
CID 53394998
9H-fluoren-9-ylmethyl carbonofluoridate
CID 10131014
9H-fluoren-9-ylmethyl 2-bromoacetate
CID 86059891
9H-fluoren-9-ylmethyl carbamate;hydrochloride
CID 66959107
1-chloro-2-[chloro-(4-methylphenyl)-phenylmethyl]benzene;9H-fluoren-9-ylmethyl N-[2-(2-chlorophenyl)-2-(4-methylphenyl)-2-phenylethyl]carbamate
CID 165047723
[4-[chloro(diphenyl)methyl]phenyl]-phenylmethanone
CID 12666774
(3R)-3-amino-3-(4-chlorophenyl)-4-(9H-fluoren-9-ylmethoxy)-4-oxobutanoic acid
CID 44593833
9H-fluoren-9-ylmethyl 2-aminoacetate
CID 5185129
9H-fluoren-9-ylmethyl 2-phenylacetate
CID 90913061
9H-fluoren-9-ylmethyl 2-amino-2-methylpropanoate
CID 59446298

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl 4-[chloro(diphenyl)methyl]benzoate?
The IUPAC name of 9H-fluoren-9-ylmethyl 4-[chloro(diphenyl)methyl]benzoate (CID 123230647) is 9H-fluoren-9-ylmethyl 4-[chloro(diphenyl)methyl]benzoate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl 4-[chloro(diphenyl)methyl]benzoate?
The canonical SMILES for 9H-fluoren-9-ylmethyl 4-[chloro(diphenyl)methyl]benzoate is O=C(OCC1c2ccccc2-c2ccccc21)c1ccc(C(Cl)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 9H-fluoren-9-ylmethyl 4-[chloro(diphenyl)methyl]benzoate?
The InChIKey is UAMKIIFPQOSVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H25ClO2/c35-34(25-11-3-1-4-12-25,26-13-5-2-6-14-26)27-21-19-24(20-22-27)33(36)37-23-32-30-17-9-7-15-28(30)29-16-8-10-18-31(29)32/h1-22,32H,23H2.
What are the key properties of 9H-fluoren-9-ylmethyl 4-[chloro(diphenyl)methyl]benzoate?
9H-fluoren-9-ylmethyl 4-[chloro(diphenyl)methyl]benzoate has a molecular weight of 501.03 g/mol, XLogP of 8.19, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl 4-[chloro(diphenyl)methyl]benzoate is sourced from PubChem (CID 123230647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).